Monomers
cis-Pent-2-enoic acid
Identifiers
IUPAC name
(Z)-pent-2-enoic acid
InchI
InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H,6,7)/b4-3-
InchI Key
YIYBQIKDCADOSF-ARJAWSKDSA-N
SMILES
CC/C=C\C(=O)O
Canonical SMILES
CCC=CC(=O)O
Isomeric SMILES
CC/C=C\C(=O)O
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H8O2
Heavy Atom Count
7
Molecular Weight
100.117
Exact Molecular Weight
100.0524
Valence Electrons
40
Radical Electrons
0
tPSA
37.3
MolLogP
1.0372
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
15 14 0 0 0 0 0 0 0 0999 V2000
-2.1218 0.0950 -0.1207 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7488 -0.2088 -0.6865 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1989 0.8748 -0.4810 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3201 0.8726 0.1628 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9085 -0.2477 0.8504 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0380 -0.1029 1.4515 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3688 -1.5195 0.9402 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0849 0.3628 0.9497 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7068 -0.8443 -0.2154 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6277 0.8486 -0.7437 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4216 -1.1856 -0.3454 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9243 -0.2812 -1.7991 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0985 1.8418 -0.9534 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8967 1.8141 0.1993 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0034 -2.3198 0.7913 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 3
4 5 1 0
5 6 2 0
5 7 1 0
1 8 1 0
1 9 1 0
1 10 1 0
2 11 1 0
2 12 1 0
3 13 1 0
4 14 1 0
7 15 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers